3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid

C11H15N3O3S — CID 62797687

IUPAC3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid
SMILESNc1nc(CC(=O)N(CCC(=O)O)C2CC2)cs1
InChIInChI=1S/C11H15N3O3S/c12-11-13-7(6-18-11)5-9(15)14(8-1-2-8)4-3-10(16)17/h6,8H,1-5H2,(H2,12,13)(H,16,17)
InChIKeyUJZWMBUTRSFILG-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.73
Rot. Bonds6

About 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid (PubChem CID 62797687) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid
PubChem CID62797687
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid
SMILESNc1nc(CC(=O)N(CCC(=O)O)C2CC2)cs1
InChIInChI=1S/C11H15N3O3S/c12-11-13-7(6-18-11)5-9(15)14(8-1-2-8)4-3-10(16)17/h6,8H,1-5H2,(H2,12,13)(H,16,17)
InChIKeyUJZWMBUTRSFILG-UHFFFAOYSA-N
XLogP0.73
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(2-methoxyethyl)acetamide
CID 62800322
2-(2-amino-1,3-thiazol-4-yl)-N-cyclohexyl-N-ethylacetamide
CID 62797286
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
CID 62799810
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62797846
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid
CID 54926408
2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide
CID 10970826
2-(2-amino-1,3-thiazol-4-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 62797099
2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 62799786
N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62921565
N-cyclopropyl-N-(2-hydroxyethyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 43577119
3-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]propanoic acid
CID 62800180

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid (CID 62797687) is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid is Nc1nc(CC(=O)N(CCC(=O)O)C2CC2)cs1.
What is the InChIKey of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid?
The InChIKey is UJZWMBUTRSFILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-11-13-7(6-18-11)5-9(15)14(8-1-2-8)4-3-10(16)17/h6,8H,1-5H2,(H2,12,13)(H,16,17).
What are the key properties of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid?
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid has a molecular weight of 269.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 62797687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).